5-(2-chloro-5-fluoropyrimidin-4-yl)-2-methyl-3-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine

C14H17ClFN5 — CID 122544550

IUPAC5-(2-chloro-5-fluoropyrimidin-4-yl)-2-methyl-3-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
SMILESCC(C)c1c2c(nn1C)CCN(c1nc(Cl)ncc1F)C2
InChIInChI=1S/C14H17ClFN5/c1-8(2)12-9-7-21(5-4-11(9)19-20(12)3)13-10(16)6-17-14(15)18-13/h6,8H,4-5,7H2,1-3H3
InChIKeyLNLWDOQRROZYLF-UHFFFAOYSA-N
MW309.78 g/mol
LogP2.69
Rot. Bonds2

About 5-(2-chloro-5-fluoropyrimidin-4-yl)-2-methyl-3-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine

5-(2-chloro-5-fluoropyrimidin-4-yl)-2-methyl-3-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine (PubChem CID 122544550) has the molecular formula C14H17ClFN5 and a molecular weight of 309.78 g/mol. Its IUPAC name is 5-(2-chloro-5-fluoropyrimidin-4-yl)-2-methyl-3-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name5-(2-chloro-5-fluoropyrimidin-4-yl)-2-methyl-3-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
PubChem CID122544550
Molecular FormulaC14H17ClFN5
Molecular Weight309.78 g/mol
Exact Mass309.12
IUPAC Name5-(2-chloro-5-fluoropyrimidin-4-yl)-2-methyl-3-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
SMILESCC(C)c1c2c(nn1C)CCN(c1nc(Cl)ncc1F)C2
InChIInChI=1S/C14H17ClFN5/c1-8(2)12-9-7-21(5-4-11(9)19-20(12)3)13-10(16)6-17-14(15)18-13/h6,8H,4-5,7H2,1-3H3
InChIKeyLNLWDOQRROZYLF-UHFFFAOYSA-N
XLogP2.69
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.78
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-5-fluoropyrimidin-4-yl)-2-methyl-3-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
The IUPAC name of 5-(2-chloro-5-fluoropyrimidin-4-yl)-2-methyl-3-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine (CID 122544550) is 5-(2-chloro-5-fluoropyrimidin-4-yl)-2-methyl-3-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine.
What is the SMILES notation for 5-(2-chloro-5-fluoropyrimidin-4-yl)-2-methyl-3-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
The canonical SMILES for 5-(2-chloro-5-fluoropyrimidin-4-yl)-2-methyl-3-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine is CC(C)c1c2c(nn1C)CCN(c1nc(Cl)ncc1F)C2.
What is the InChIKey of 5-(2-chloro-5-fluoropyrimidin-4-yl)-2-methyl-3-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
The InChIKey is LNLWDOQRROZYLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClFN5/c1-8(2)12-9-7-21(5-4-11(9)19-20(12)3)13-10(16)6-17-14(15)18-13/h6,8H,4-5,7H2,1-3H3.
What are the key properties of 5-(2-chloro-5-fluoropyrimidin-4-yl)-2-methyl-3-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
5-(2-chloro-5-fluoropyrimidin-4-yl)-2-methyl-3-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine has a molecular weight of 309.78 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-5-fluoropyrimidin-4-yl)-2-methyl-3-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 122544550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).